4-[2-(3-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-bromo-4,5-dimethoxy-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3-bromo-4,5-dimethoxy-phenyl)ethylamino]-4-keto-butyric acid Formula: C14H18BrNO5 MolecularWeight: 360.20042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)O)Br)OC

InChI

InChI=1S/C14H18BrNO5/c1-20-11-8-9(7-10(15)14(11)21-2)5-6-16-12(17)3-4-13(18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H,18,19)